From the ZnO hollow cage clusters to zno nanoporous phases: A first-principles bottom-up prediction

Journal of Physical Chemistry C

Volumn 117, Issue 34, 2013, Pages 17633-17643

  Liu, Zhifeng ^a   Wang, Xinqiang ^a   Cai, Jiangtao ^b   Liu, Gaobin ^a   Zhou, Ping ^a,c   Wang, Kan ^a   Zhu, Hengjiang ^d  

^a CHONGQING UNIVERSITY   (China)

^b INSTITUTE OF SEMICONDUCTORS   (China)

^c CHONGQING JIAOTONG UNIVERSITY   (China)

^d XINJIANG NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BOTTOM UP APPROACH; ELECTRONIC INTEGRITY; EQUATION OF STATE; FIRST-PRINCIPLES MOLECULAR DYNAMICS; II-VI SEMICONDUCTOR; INDIRECT BAND GAP; NOVEL STRUCTURES; THERMODYNAMICALLY STABLE;

CALCULATIONS; ELECTRONIC PROPERTIES; ENERGY GAP; EQUATIONS OF STATE; METASTABLE PHASES; MOLECULAR DYNAMICS; ZINC OXIDE;

ZINC;

EID: 84883328269     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp405084r     Document Type: Article

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